SCHEMBL2038529

SCHEMBL2038529

CN1C(=O)CCC1CCF

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.34
SRD5A1 P18405 5/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
PTGER2 P43116 3/20 0.33
P2RX7 Q99572 2/20 0.32
KCNA5 P22460 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2034012 0.85
SCHEMBL10772975 0.83 PTGER4 (0.38) PDK2SRD5A1KDM4ECYP3A4THRB
SCHEMBL11767858 0.82 BRD4 (0.43) PDK2SRD5A1KDM4ECYP3A4THRB
SCHEMBL1587366 0.81
SCHEMBL3507512 0.81
SCHEMBL30836750 0.81
SCHEMBL13205695 0.80 PTGER4 (0.42) MEN1KMT2APTGER4PTGER3PTGER2
SCHEMBL13626401 0.80 PTGER4 (0.42) MEN1KMT2APTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL23298316 0.79 IRAK4 (0.34) PDK2SRD5A1KDM4ECYP3A4THRB
Hydrochloric Acid SCHEMBL23298317 0.79 IRAK4 (0.34) PDK2SRD5A1KDM4ECYP3A4THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485314-A1 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary cell Mitsubishi Chemical Corporation (JP) 2012-08-08 EP disclosed
US-8178246-B2 Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-15 US disclosed
EP-2339684-A2 Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds Mitsubishi Chemical Corporation (JP) 2011-06-29 EP disclosed
US-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-08 US disclosed
EP-1890357-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND CARBONATE COMPOUND Mitsubishi Chemical Corporation (JP) 2008-02-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253048-A1 NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS SLC9A1, NHERF1, CA2 PDK2 730/4885SRD5A1 357/4885KDM4E 2053/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.